SCHEMBL21296768

SCHEMBL21296768

O=C(Nc1cccc(OCCN2CCCCC2)c1)Nc1cccc(-c2ccn[nH]2)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.56
PRKAG1 P54619 1/20 0.56
PRKAA2 P54646 1/20 0.56
PRKAA1 Q13131 1/20 0.56
PRKAG3 Q9UGI9 1/20 0.56
PRKAG2 Q9UGJ0 1/20 0.56
PRKAB1 Q9Y478 1/20 0.56
EPHX2 P34913 10/20 0.52
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
CYP4F2 P78329 2/20 0.50
CYP4A11 Q02928 2/20 0.50
FAAH O00519 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
BACE1 P56817 1/20 0.48
AURKA O14965 1/20 0.47
FLT1 P17948 1/20 0.47
KDR P35968 1/20 0.47
FLT3 P36888 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21296827 0.96 EPHX2 (0.56) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL21296725 0.90 KDR (0.57) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL21296809 0.87 EPHX2 (0.51) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL21296821 0.87 KDR (0.60) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL21296732 0.86 TLR9 (0.57) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL21296761 0.83 TLR9 (0.57) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL21296810 0.77 HRH3 (0.58) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4265258 0.73 EPHX2 (0.89) EPHX2
SCHEMBL21296730 0.73 IRAK1 (0.54)
SCHEMBL21296754 0.72 HRH3 (0.48) EPHX2HTR2AHTR2CFAAHHRH3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530181-B2 IL-6 inhibitors and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-12-20 US claimed
US-20210206718-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2021-07-08 US claimed
WO-2019165158-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-08-29 WO claimed
US-20240246943-A1 MULTIFACETED APPROACH TO NOVEL INTERLEUKIN-6 INHIBITORS University of Florida Research Fooundation, Incorporated (US) 2024-07-25 US disclosed
US-11530181-B2 IL-6 inhibitors and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-12-20 US disclosed
WO-2022226133-A1 MULTIFACETED APPROACH TO NOVEL INTERLEUKIN-6 INHIBITORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-10-27 WO disclosed
US-20210206718-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2021-07-08 US disclosed
WO-2019165158-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-08-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11530181-B2 IL-6 inhibitors and methods of treatment IL6, IL6ST, IL2 PRKAB2 1625/4885PRKAG1 1946/4885PRKAA2 1749/4885
US-20240246943-A1 MULTIFACETED APPROACH TO NOVEL INTERLEUKIN-6 INHIBITORS IL6, IL6ST, IL36G PRKAB2 639/4885PRKAG1 783/4885PRKAA2 410/4885
US-20210206718-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT IL6, IL6ST, IL2 PRKAB2 1625/4885PRKAG1 1946/4885PRKAA2 1749/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.